Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.43 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7659788 | 0.84 | ACE2 (0.47) | SMN1; SMN2CYP1A2SLC9A1SLC9A2KDM4E | |
| SCHEMBL31498196 | 0.84 | NOTUM (0.49) | SMN1; SMN2CYP1A2TSHRCYP2C19NOTUM | |
| SCHEMBL31498198 | 0.81 | CA12 (0.56) | SMN1; SMN2CYP1A2TSHRCYP2C19NOTUM | |
| SCHEMBL9014825 | 0.80 | NOTUM (0.56) | SMN1; SMN2CYP1A2TSHRCYP2C19NOTUM | |
| SCHEMBL17593784 | 0.80 | ALDH1A1 (0.50) | SMN1; SMN2CYP1A2TSHRCYP2C19NOTUM | |
| SCHEMBL8647598 | 0.78 | SLC9A1 (0.44) | SLC9A1SLC9A2CA1CA2LMNA | |
| SCHEMBL8647605 | 0.77 | SLC9A1 (0.72) | SLC9A1SLC9A2 | |
| SCHEMBL3903297 | 0.77 | NOTUM (0.59) | SMN1; SMN2NOTUMALDH1A1L3MBTL1CA12 | |
| SCHEMBL13220716 | 0.75 | CA1 (0.53) | SMN1; SMN2TSHRALDH1A1CA12CA1 | |
| SCHEMBL14159036 | 0.75 | CA1 (0.46) | SMN1; SMN2NOTUMALDH1A1CA12CA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5571842-A | ANTIARRHYTHMIA AND ANTIISCHEMIC AGENTS, DIAGNOSIS OF CANCER AND HYPERTENSION | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-05 | — | — | US | disclosed |